| SpectraBase Compound ID | 6RbkBwWryFt |
|---|---|
| InChI | InChI=1S/C8H18O/c1-4-5-6-7(2)8(3)9/h7-9H,4-6H2,1-3H3 |
| InChIKey | SZERMVMTUUAYML-UHFFFAOYSA-N |
| Mol Weight | 130.23 g/mol |
| Molecular Formula | C8H18O |
| Exact Mass | 130.135765 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 2qWHae95EwH |
|---|---|
| Name | 3-Methyl-2-heptanol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 130.135765199 u |
| Formula | C8H18O |
| InChI | InChI=1S/C8H18O/c1-4-5-6-7(2)8(3)9/h7-9H,4-6H2,1-3H3 |
| InChIKey | SZERMVMTUUAYML-UHFFFAOYSA-N |
| Molecular Weight | 130.231 g/mol |
| SMILES | OC(C(CCCC)C)C |
| Spectrum/Structure Validation Score (Raman) | 0.97738 |